ChemSpider 2D Image | N-[1-(Adamantan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide | C27H37N3OS

N-[1-(Adamantan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide

  • Molecular FormulaC27H37N3OS
  • Average mass451.667 Da
  • Monoisotopic mass451.265747 Da
  • ChemSpider ID22471091

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Piperidinecarboxamide, 1-(4,6-dimethyl-2-benzothiazolyl)-N-(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)- [ACD/Index Name]
N-[1-(Adamantan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[1-(Adamantan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[1-(Adamantan-1-yl)éthyl]-1-(4,6-diméthyl-1,3-benzothiazol-2-yl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 9367.09
ACD/KOC (pH 5.5): 20250.58
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17431.54
ACD/KOC (pH 7.4): 37685.04
Polar Surface Area: 73 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 375.9±3.0 cm3

Click to predict properties on the Chemicalize site


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